4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide

C21H22N6O3S — CID 50825245

IUPAC4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4cnc[nH]4)ccc3n2C)cc1
InChIInChI=1S/C21H22N6O3S/c1-3-10-23-21(28)15-6-4-14(5-7-15)20-25-17-11-16(8-9-18(17)27(20)2)26-31(29,30)19-12-22-13-24-19/h4-9,11-13,26H,3,10H2,1-2H3,(H,22,24)(H,23,28)
InChIKeyAIVUIFZQRZTVHY-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.90
Rot. Bonds7

About 4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide

4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide (PubChem CID 50825245) has the molecular formula C21H22N6O3S and a molecular weight of 438.51 g/mol. Its IUPAC name is 4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
PubChem CID50825245
Molecular FormulaC21H22N6O3S
Molecular Weight438.51 g/mol
Exact Mass438.15
IUPAC Name4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4cnc[nH]4)ccc3n2C)cc1
InChIInChI=1S/C21H22N6O3S/c1-3-10-23-21(28)15-6-4-14(5-7-15)20-25-17-11-16(8-9-18(17)27(20)2)26-31(29,30)19-12-22-13-24-19/h4-9,11-13,26H,3,10H2,1-2H3,(H,22,24)(H,23,28)
InChIKeyAIVUIFZQRZTVHY-UHFFFAOYSA-N
XLogP2.90
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
CID 50825231
N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide
CID 50825657
4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825266
4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide
CID 50825285
4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825236
4-[5-[(3-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825229
4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825351
4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825278
4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825233
3-[[2-[4-(1-aminocyclopropyl)phenyl]-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid
CID 19921131
N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide
CID 122690142
methyl 3-[[2-[4-(aminomethyl)phenyl]-1-methylbenzimidazole-5-carbonyl]amino]propanoate;dihydrochloride
CID 19921539

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide?
The IUPAC name of 4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide (CID 50825245) is 4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide.
What is the SMILES notation for 4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide?
The canonical SMILES for 4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide is CCCNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4cnc[nH]4)ccc3n2C)cc1.
What is the InChIKey of 4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide?
The InChIKey is AIVUIFZQRZTVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3S/c1-3-10-23-21(28)15-6-4-14(5-7-15)20-25-17-11-16(8-9-18(17)27(20)2)26-31(29,30)19-12-22-13-24-19/h4-9,11-13,26H,3,10H2,1-2H3,(H,22,24)(H,23,28).
What are the key properties of 4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide?
4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide has a molecular weight of 438.51 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide is sourced from PubChem (CID 50825245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).